Natural Isotopic formula weight: 532.53638
This is of the category, b-O-4 Dimers, 3-Carbon Sidechain
H-b-S image
H-b-S

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bmse010152 Data       Entry STAR file: bmse010152.str       

Authors: Sally Ralph, John Ralph, Larry L. Landucci NMR Database of Lignin and Cell Wall Model Compounds.
Concentration: 36 mg/ml Source: Sally Ralph
Spectrometer:   Bruker WM - 250 MHz

Assigned chemical shifts
Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C2AcMe20.784
C3AcMe20.124
C4AcMe21.194
C5AcMe21.444
C1BB22.261
C6OMe56.081
C7OMe56.081
C14G62.661
C15BA72.381
C26A73.941
C25B80.881
C12B2103.291
C13B6103.291
C10A3121.361
C11A5121.361
C8A2128.061
C9A6128.061
C20A1134.691
C27B4134.961
C21B1137.911
C22A4150.371
C23B3153.221
C24B5153.221
C18A4AcC=O169.361
C19AAAcC=O169.621
C17BAAcC=O170.291
C16AGAcC=O170.291
Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C2AcMe20.554
C3AcMe20.954
C4AcMe20.954
C5AcMe21.164
C1BB22.601
C6OMe56.381
C7OMe56.381
C14G63.191
C15BA72.681
C26A74.901
C25B81.261
C12B2103.981
C13B6103.981
C10A3122.331
C11A5122.331
C8A2128.891
C9A6128.891
C20A1135.641
C27B4135.841
C21B1139.171
C22A4151.531
C23B3154.081
C24B5154.081
C18A4AcC=O169.611
C19AAAcC=O169.931
C17BAAcC=O170.211
C16AGAcC=O170.661
H39BB1.471
H40BB1.471
H41BB1.471
H42AcMe1.844
H43AcMe1.844
H44AcMe1.844
H45AcMe2.034
H46AcMe2.034
H47AcMe2.034
H51AcMe2.124
H52AcMe2.124
H53AcMe2.124
H48A4AcMe2.251
H49A4AcMe2.251
H50A4AcMe2.251
H54OMe3.791
H55OMe3.791
H56OMe3.791
H57OMe3.791
H58OMe3.791
H59OMe3.791
H66G14.151
H67G24.381
H69B4.691
H68BA5.781
H70A6.071
H64B26.681
H65B66.681
H62A37.111
H63A57.111
H60A27.451
H61A67.451
Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C2AcMe20.224
C3AcMe20.604
C4AcMe20.744
C5AcMe20.954
C1BB21.991
C6OMe55.751
C7OMe55.751
C14G61.941
C15BA71.591
C26A73.491
C25B79.791
C12B2102.851
C13B6102.851
C10A3121.561
C11A5121.561
C8A2128.721
C9A6128.721
C20A1134.261
C27B4135.051
C21B1137.401
C22A4149.961
C23B3152.521
C24B5152.521
C18A4AcC=O169.081
C19AAAcC=O169.081
C17BAAcC=O169.551
C16AGAcC=O169.901